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Information card for entry 1518222
Preview
| Coordinates | 1518222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (EC)3:LiClO4 |
|---|---|
| Formula | C9 H12 Cl Li O13 |
| Calculated formula | C9 H12 Cl Li O13 |
| SMILES | [Li](OCl(=O)(=O)=O)([O]=C1OCCO1)([O]=C1OCCO1)[O]=C1OCCO1 |
| Title of publication | Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters |
| Authors of publication | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2014 |
| Journal volume | 118 |
| Journal issue | 45 |
| Pages of publication | 25884 |
| a | 14.7963 ± 0.0006 Å |
| b | 13.6149 ± 0.0005 Å |
| c | 18.8067 ± 0.0008 Å |
| α | 90° |
| β | 129.438 ± 0.0017° |
| γ | 90° |
| Cell volume | 2926 ± 0.2 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518222.cif |
| 131412 | 2015-02-07 | cif/ Updating files of 1518222, 1518223, 1518224, 1518225, 1518226, 1518227, 1518228, 1518229, 1518230 Original log message: Adding full bibliography for 1518222--1518230.cif. |
1518222.cif |
| 126625 | 2014-11-07 | cif/ Adding structures of 1518222, 1518223, 1518224, 1518225, 1518226, 1518227, 1518228, 1518229, 1518230 via cif-deposit CGI script. |
1518222.cif |
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Users of the data should acknowledge the original authors of the
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